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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03337003

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZCTA,B,C,D,E,F,
G,H		3B6A0.73
BEZBENZOIC ACIDA,B2F8D0.75
BEZBENZOIC ACIDA,B1A8U0.75
BEZBENZOIC ACIDA,B1REE0.75
BEZBENZOIC ACIDA1L7Q0.75
BEZBENZOIC ACIDA1I690.75
BEZBENZOIC ACIDH,L1RUL0.75
BEZBENZOIC ACIDA,B3CCF0.75
BEZBENZOIC ACIDA1W9Q0.75
BEZBENZOIC ACIDA,B,G,J2DU80.75
BEZBENZOIC ACIDH,L1RUA0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.75
BEZBENZOIC ACIDH,L1RU90.75
BEZBENZOIC ACIDA,B,C,D2V320.75
BEZBENZOIC ACIDA2QMQ0.75
BEZBENZOIC ACIDA1UKB0.75
BEZBENZOIC ACIDA,B1RED0.75
BEZBENZOIC ACIDA,B1OC30.75
BEZBENZOIC ACIDA,B1REF0.75
BEZBENZOIC ACIDA,B2O020.75
BEZBENZOIC ACIDA,B2VJ10.75
BEZBENZOIC ACIDA,B,C1WSP0.75
BEZBENZOIC ACIDA1HZ40.75
BEZBENZOIC ACIDA2Q380.75
BEZBENZOIC ACIDA,B,C,D1UUJ0.75
BEZBENZOIC ACIDA,B2QL80.75
BEZBENZOIC ACIDA2Q0I0.75
BEZBENZOIC ACIDA,B1S8F0.75
BEZBENZOIC ACIDD,E,F,G,H1DJR0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.75
BEZBENZOIC ACIDA,B,C,D1I7Q0.75
BEZBENZOIC ACIDA,B,C,D2RHM0.75
BEZBENZOIC ACIDA,B2F780.75
BEZBENZOIC ACIDA,B2VL20.75
BEZBENZOIC ACIDA1HD20.75
BEZBENZOIC ACIDA1JU40.75
BEZBENZOIC ACIDH,L2AJY0.75
BEZBENZOIC ACIDA,B,C3GV10.75
BEZBENZOIC ACIDA2Q6U0.75
BEZBENZOIC ACIDA,B1VE90.75
BEZBENZOIC ACIDA,B1S9A0.75
BEZBENZOIC ACIDH,L,M1OP30.75
BEZBENZOIC ACIDA1W9E0.75
BEZBENZOIC ACIDA,B,C,D2V2G0.75
BEZBENZOIC ACIDH,L2AK10.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.75
BEZBENZOIC ACIDA,B1GYX0.75
BEZBENZOIC ACIDA1V1T0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.75
BEZBENZOIC ACIDA,B1HKQ0.75
BEZBENZOIC ACIDH,L1RUK0.75
BEZBENZOIC ACIDA2Q1B0.75
BEZBENZOIC ACIDH,L1RUM0.75
BEZBENZOIC ACIDA,B2F7A0.75
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.75
BEZBENZOIC ACIDA,B2V7B0.75
BEZBENZOIC ACIDH1NCW0.75
BEZBENZOIC ACIDA,B1TMX0.75
BEZBENZOIC ACIDA1URM0.75
BEZBENZOIC ACIDA1W9O0.75
BEZBENZOIC ACIDA,B,C,D1GXS0.75
BEZBENZOIC ACIDH1RUP0.75
BEZBENZOIC ACIDA,B,C,D1KQB0.75
BEZBENZOIC ACIDA2Q9R0.75
BEZBENZOIC ACIDD,H2OK60.75
BEZBENZOIC ACIDA,B2Q0J0.75
34D3,5-DIHYDROXYBENZOATEA,B2BX70.7
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.74
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A,C,E,G1MZN0.74
FBCA,B2B9A0.76
VXXVANILLATEA,B1WB60.72
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.72
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
MOAMYCOPHENOLIC ACIDA1ME70.73
MOAMYCOPHENOLIC ACIDA,B1JR10.73
MOAMYCOPHENOLIC ACIDA1MEI0.73
MOAMYCOPHENOLIC ACIDA1MEH0.73
BHCBENZENE HEXACARBOXYLIC ACIDA,B,C,D1BQ40.84
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.75
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.75
SYRSYRINGATEA,B1WB50.71
S1ASORAPHEN AA,B3GID0.74
S1ASORAPHEN AA,B,C1W960.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.74
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.74
SMN(S)-MANDELIC ACIDA1MDL0.7
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.79
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.79
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.71
PMAPYROMELLITIC ACIDA,B1FUP0.91
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.77
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE		B1O1S0.74
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A,B,C,D2F980.74
NGVMETHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-
TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-
1-CARBOXYLATE		A1SJW0.74
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.73
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.7
26CA,B2F7I0.76
PHTPHTHALIC ACIDA,B,C2B7P0.82
PHTPHTHALIC ACIDA3C2V0.82
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.82
PHTPHTHALIC ACIDA,B3C2R0.82
DIC3,4-DICHLOROISOCOUMARINA1DIC0.7
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID		A1FCX0.73
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID		A,B1N5S0.7
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.71
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.79
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.79
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID		B1N5T0.72
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE		A1JIM0.7
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.79
OSB2-SUCCINYLBENZOATEA1FHV0.82
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.82
OSB2-SUCCINYLBENZOATEA,B2QVH0.82
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.75
4FCA1YSG0.77
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.71
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.72
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.73
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.73
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.82
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.82
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.76
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione		A,B3C9W0.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.75
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.76
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.71
MBOMERCURIBENZOIC ACIDA2QO80.75
MBOMERCURIBENZOIC ACIDA1LUG0.75
MBOMERCURIBENZOIC ACIDA2HOC0.75
MBOMERCURIBENZOIC ACIDA3EFI0.75
MBOMERCURIBENZOIC ACIDA3BL00.75
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.75
MBOMERCURIBENZOIC ACIDA3CAJ0.75
MBOMERCURIBENZOIC ACIDA1DR70.75
MBOMERCURIBENZOIC ACIDA2HL40.75
MBOMERCURIBENZOIC ACIDA2GD80.75
MBOMERCURIBENZOIC ACIDA2QP60.75
MBOMERCURIBENZOIC ACIDA2HD60.75
MBOMERCURIBENZOIC ACIDA3C7P0.75
MBOMERCURIBENZOIC ACIDA,B2JHN0.75
MBOMERCURIBENZOIC ACIDA1DR60.75
MBOMERCURIBENZOIC ACIDA2HNC0.75
MBOMERCURIBENZOIC ACIDA2QOA0.75
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
TRZTRAZEOLIDEA1C120.73
PIC6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-
2-CARBOXYLIC ACID		A1BZJ0.72
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MCZ0.7